PRD_900128

Blood group A Lewis Y antigen, alpha anomer

PRD_900128 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5ELE.

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Chemical Component Summary

NameBlood group A Lewis Y antigen, alpha anomer
Identifiers~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido -2-(hydroxymethyl)-4-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-oxan-3-yl]ox y-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl]o xy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
FormulaC34 H58 N2 O24
Molecular Weight878.823
TypeSACCHARIDE
Isomeric SMILESC[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)O)NC(=O)C)O)O)O
InChIInChI=1S/C34H58N2O24/c1-8-17(42)22(47)24(49)32(52-8)58-27-16(36-11(4)41)30(51)54-14(7-39)26(27)57-34-29(60-33-25(50)23(48)18(43)9(2)53-33)28(20(45)13(6-38)56-34)59-31-15(35-10(3)40)21(46)19(44)12(5-37)55-31/h8-9,12-34,37-39,42-51H,5-7H2,1-4H3,(H,35,40)(H,36,41)/t8-,9-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33-,34-/m0/s1
InChIKeyNHIFBPDKRQCTIX-AKJVMPPDSA-N
CompositionPolymer Sequences: NDG-GAL-FUC-A2G-FUC
BIRD classANTIGEN
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count118
Chiral Atom Count25
Bond Count122
Aromatic Bond Count0